N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide

C14H23N3O2 — CID 76926327

IUPACN-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C14H23N3O2/c1-8(12(15)17-19)13(18)16-14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11,19H,2-7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYMHIMRFDRFGVJO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.45
Rot. Bonds3

About N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide

N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide (PubChem CID 76926327) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide
PubChem CID76926327
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C14H23N3O2/c1-8(12(15)17-19)13(18)16-14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11,19H,2-7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYMHIMRFDRFGVJO-UHFFFAOYSA-N
XLogP1.45
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide (CID 76926327) is N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=NO.
What is the InChIKey of N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide?
The InChIKey is YMHIMRFDRFGVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8(12(15)17-19)13(18)16-14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11,19H,2-7H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide?
N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-amino-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76926327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).